SCHEMBL7732287

SCHEMBL7732287

N[C@H](CCc1ccccc1)C(O)c1nc2ncccc2o1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 7/20 0.50
FAAH O00519 9/20 0.48
CES1 P23141 4/20 0.46
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7732346 0.82 FAAH (0.42) DAGLAFAAHCES1HSD17B10NPC1
SCHEMBL7561710 0.82 FAAH (0.42) DAGLAFAAHCES1HSD17B10NPC1
SCHEMBL6462278 0.82 FAAH (0.42) DAGLAFAAHCES1HSD17B10NPC1
SCHEMBL5431040 0.82 FAAH (0.42) DAGLAFAAHCES1HSD17B10NPC1
SCHEMBL5460197 0.81 FAAH (0.44) DAGLAFAAHCES1HSD17B10NPC1
SCHEMBL3616775 0.81 FAAH (0.44) DAGLAFAAHCES1HSD17B10NPC1
SCHEMBL3616777 0.81 FAAH (0.44) DAGLAFAAHCES1HSD17B10NPC1
Hydrochloric Acid SCHEMBL6701346 0.80 FAAH (0.43) DAGLAFAAHCES1HSD17B10NPC1
SCHEMBL3960844 0.79 FAAH (0.59) DAGLAFAAHCES1
SCHEMBL3962611 0.79 FAAH (0.59) DAGLAFAAHCES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed